BDBM50082818 1'-[6-(3,4-Difluoro-phenyl)-5-methoxycarbonyl-4-methoxymethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1-carbonyl]-4-phenyl-[1,4']bipiperidinyl-4-carboxylic acid methyl ester::CHEMBL341838

SMILES: COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC

InChI Key: InChIKey=FQUQPNDGBZDOFM-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50082818   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50082818 (1'-[6-(3,4-Difluoro-phenyl)-5-methoxycarbonyl-4-me...) Show SMILES COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C33H38F2N4O7/c1-44-20-26-27(29(40)45-2)28(21-9-10-24(34)25(35)19-21)39(31(42)36-26)32(43)38-15-11-23(12-16-38)37-17-13-33(14-18-37,30(41)46-3)22-7-5-4-6-8-22/h4-10,19,23,28H,11-18,20H2,1-3H3,(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50082818 (1'-[6-(3,4-Difluoro-phenyl)-5-methoxycarbonyl-4-me...) Show SMILES COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C33H38F2N4O7/c1-44-20-26-27(29(40)45-2)28(21-9-10-24(34)25(35)19-21)39(31(42)36-26)32(43)38-15-11-23(12-16-38)37-17-13-33(14-18-37,30(41)46-3)22-7-5-4-6-8-22/h4-10,19,23,28H,11-18,20H2,1-3H3,(H,36,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against Alpha-1B adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50082818 (1'-[6-(3,4-Difluoro-phenyl)-5-methoxycarbonyl-4-me...) Show SMILES COCC1=C(C(N(C(=O)N2CCC(CC2)N2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3| Show InChI InChI=1S/C33H38F2N4O7/c1-44-20-26-27(29(40)45-2)28(21-9-10-24(34)25(35)19-21)39(31(42)36-26)32(43)38-15-11-23(12-16-38)37-17-13-33(14-18-37,30(41)46-3)22-7-5-4-6-8-22/h4-10,19,23,28H,11-18,20H2,1-3H3,(H,36,42)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description In vitro binding affinity against alpha-1D adrenergic receptor of human liver microsomes.				J Med Chem 42: 4778-93 (1999) BindingDB Entry DOI: 10.7270/Q2930SCW
					More data for this Ligand-Target Pair